The adsorption energy (eV) of H 2 , bond length d H-H (Å), adatom to H
The adsorption energy (eV) of H 2 , bond length d H-H (Å), adatom to H
First-principles study of hydrogen storage on Li, Na and K-decorated defective boron nitride nanosheets
Effect of point defects on water adsorption on the ThO2{111} surface: A first-principles computational study - ScienceDirect
Enhanced H2 adsorption on 2D B4N monolayer modified with Na atoms: A density functional theory exploration - ScienceDirect
Hibbitts Group Publications
Oxidation, Stability, and Magnetic Ground States of Two-Dimensional Layered Electrides
Catalysts, Free Full-Text
Adsorption of ammonia on ZrOx-modified graphene nanoribbon: a first-principle investigation
Density functional study of Li/Na adsorption properties of single-layer and double-layer antimonenes - RSC Advances (RSC Publishing) DOI:10.1039/C9RA06059F
Effect of point defects on water adsorption on the ThO2{111} surface: A first-principles computational study - ScienceDirect
Effect of Li Adsorption on the Electronic and Hydrogen Storage Properties of Acenes: A Dispersion-Corrected TAO-DFT Study
PDF) DFT Investigation of the Hydrogen Adsorption on Graphene and Graphene Sheet Doped with Osmium and Tungsten
Density functional theory calculations for Pd adsorption on SO4 adsorbed on h-BN - ScienceDirect